5-(3,4-dimethoxyphenyl)-2,2-dimethyl-2,3,6,12c-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-2,2-dimethyl-2,3,6,12c-tetrahydrobenzo[a]phenanthridin-4(1H)-one
5-(3,4-dimethoxyphenyl)-2,2-dimethyl-2,3,6,12c-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Compound characteristics
| Compound ID: | 8014-3817 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-2,2-dimethyl-2,3,6,12c-tetrahydrobenzo[a]phenanthridin-4(1H)-one |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C27 H27 N O3 |
| Smiles: | CC1(C)CC2C(=C(c3ccc(c(c3)OC)OC)Nc3ccc4ccccc4c23)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4176 |
| logD: | 5.4117 |
| logSw: | -6.7832 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.361 |
| InChI Key: | HQALDWQZFJSRSZ-IBGZPJMESA-N |